2-[2-fluoro-3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile

C20H10F4N4 — CID 10134480

IUPAC2-[2-fluoro-3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)c1F
InChIInChI=1S/C20H10F4N4/c21-18-14(13-5-2-1-4-12(13)10-25)6-3-7-15(18)16-11-26-19-27-17(20(22,23)24)8-9-28(16)19/h1-9,11H
InChIKeyGXKGSEUULCEOTM-UHFFFAOYSA-N
MW382.32 g/mol
LogP5.09
Rot. Bonds2

About 2-[2-fluoro-3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile

2-[2-fluoro-3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile (PubChem CID 10134480) has the molecular formula C20H10F4N4 and a molecular weight of 382.32 g/mol. Its IUPAC name is 2-[2-fluoro-3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[2-fluoro-3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile
PubChem CID10134480
Molecular FormulaC20H10F4N4
Molecular Weight382.32 g/mol
Exact Mass382.08
IUPAC Name2-[2-fluoro-3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)c1F
InChIInChI=1S/C20H10F4N4/c21-18-14(13-5-2-1-4-12(13)10-25)6-3-7-15(18)16-11-26-19-27-17(20(22,23)24)8-9-28(16)19/h1-9,11H
InChIKeyGXKGSEUULCEOTM-UHFFFAOYSA-N
XLogP5.09
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.32
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile?
The IUPAC name of 2-[2-fluoro-3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile (CID 10134480) is 2-[2-fluoro-3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile.
What is the SMILES notation for 2-[2-fluoro-3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile?
The canonical SMILES for 2-[2-fluoro-3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile is N#Cc1ccccc1-c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)c1F.
What is the InChIKey of 2-[2-fluoro-3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile?
The InChIKey is GXKGSEUULCEOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F4N4/c21-18-14(13-5-2-1-4-12(13)10-25)6-3-7-15(18)16-11-26-19-27-17(20(22,23)24)8-9-28(16)19/h1-9,11H.
What are the key properties of 2-[2-fluoro-3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile?
2-[2-fluoro-3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile has a molecular weight of 382.32 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile is sourced from PubChem (CID 10134480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).